1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol

C24H37NO3 — CID 132585840

IUPAC1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNC23CC4CC(CC(C4)C2)C3)c(C(C)(C)C)c1
InChIInChI=1S/C24H37NO3/c1-23(2,3)21-10-20(27-4)5-6-22(21)28-15-19(26)14-25-24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,16-19,25-26H,7-9,11-15H2,1-4H3
InChIKeyOXDKYHCMSHTXFY-UHFFFAOYSA-N
MW387.56 g/mol
LogP4.29
Rot. Bonds7

About 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol

1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol (PubChem CID 132585840) has the molecular formula C24H37NO3 and a molecular weight of 387.56 g/mol. Its IUPAC name is 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
PubChem CID132585840
Molecular FormulaC24H37NO3
Molecular Weight387.56 g/mol
Exact Mass387.28
IUPAC Name1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNC23CC4CC(CC(C4)C2)C3)c(C(C)(C)C)c1
InChIInChI=1S/C24H37NO3/c1-23(2,3)21-10-20(27-4)5-6-22(21)28-15-19(26)14-25-24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,16-19,25-26H,7-9,11-15H2,1-4H3
InChIKeyOXDKYHCMSHTXFY-UHFFFAOYSA-N
XLogP4.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-adamantylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 132585829
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 41135244
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998304
2-[[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 39915376
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
1-(2-tert-butyl-4-methoxyphenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 42909782
1-(2-tert-butyl-4-methoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959124
1-(2-tert-butyl-4-methoxyphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
CID 138961003
(2-tert-butyl-4-methoxyphenyl) 2-(1-adamantyl)acetate
CID 159232362

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol (CID 132585840) is 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CNC23CC4CC(CC(C4)C2)C3)c(C(C)(C)C)c1.
What is the InChIKey of 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol?
The InChIKey is OXDKYHCMSHTXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO3/c1-23(2,3)21-10-20(27-4)5-6-22(21)28-15-19(26)14-25-24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,16-19,25-26H,7-9,11-15H2,1-4H3.
What are the key properties of 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol?
1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol has a molecular weight of 387.56 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 132585840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).